CAS号:236395-14-5-Eslicarbazepine Acetate - Eslicarbazepine Acetate-科华智慧

1. 主信息

英文名:	Eslicarbazepine Acetate
中文名:	Eslicarbazepine Acetate
CAS编号:	236395-14-5
化学分子式：	C₁₇H₁₆N₂O₃
化学分子量：	296.32 g/mol
SMILES：	CC(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N
来源：	合成化合物
结构类型：	-
其它名称或标识：	10-acetoxy-10,11-dihydro-5H-dibenz(b,f)azepine-5-carboxamide Aptiom BIA 2-093 BIA-2-093 eslicarbazepine acetate

2. 供应商与价格

供应商	包装规格	含量	价格(元)	环境要求	货期	说明
科华智慧	10mg	99%	144	RT	现货	-
科华智慧	50mg	99%	224	RT	现货	-
科华智慧	100mg	99%	384	RT	现货	-
科华智慧	1g	99%	1440	RT	现货	-

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3. 结构

3.1 二维结构

3.2 三维结构

-1 -2 -3 38 40 0 1 0 0 0 0 0999 V2000 0.8973 -1.4857 -1.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1729 -1.7827 2.4091 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1663 -1.1981 -0.9555 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3905 -0.1298 0.9247 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9731 -1.0964 2.6078 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7876 -0.1409 -1.7391 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6308 0.1748 -2.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2247 0.8246 -0.6758 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7497 0.2224 -1.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6344 0.8097 0.5954 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 0.0386 0.2205 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 1.7581 -0.9517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0343 0.4263 -1.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 1.7230 1.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8264 0.0635 0.9885 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6594 2.6612 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2788 -1.0267 2.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0757 2.6437 1.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1863 0.4426 -0.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0814 0.2594 0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1513 -1.8806 -0.9210 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1145 -3.3071 -0.4630 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4345 -0.0504 -2.6229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9089 -0.5846 -2.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6198 1.1484 -2.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 1.7875 -1.9328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1387 0.5655 -2.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6155 1.7351 2.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7931 -0.0204 2.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4431 3.3778 -0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4010 3.3478 2.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1566 0.5994 -1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9695 0.2817 1.0353 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1340 -1.7258 3.3875 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7913 -0.6132 2.2566 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8122 -3.9536 -1.2905 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4241 -3.4101 0.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1123 -3.6067 -0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 21 1 0 0 0 0 2 17 2 0 0 0 0 3 21 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 17 1 0 0 0 0 5 17 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 12 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 26 1 0 0 0 0 13 19 1 0 0 0 0 13 27 1 0 0 0 0 14 18 1 0 0 0 0 14 28 1 0 0 0 0 15 20 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0

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4. 国际命名与标识

4.1 IUPAC Name

[(5S)-11-carbamoyl-5,6-dihydrobenzo[b][1]benzazepin-5-yl] acetate

4.2 InChl

InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1

4.3 InChlKey

QIALRBLEEWJACW-INIZCTEOSA-N

4.4 Canonical SMILES

CC(=O)OC1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N

4.5 lsomeric SMILES

CC(=O)O[C@H]1CC2=CC=CC=C2N(C3=CC=CC=C13)C(=O)N

4.6 SDF文件

补充中

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5. 波谱数据

5.1 ¹³C核磁共振谱(¹³C NMR)

5.2 ¹H核磁共振谱(¹H NMR)

5.3 质谱(MS)

补充中

5.4 红外光谱(IR)

补充中

5.5 紫外/可见光谱(UV/Vis)

补充中

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6. 相关药材

中文名称

英文名称

拉丁文名称

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7. 相关靶点

基因靶点

靶点位置

参考文献

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8. 相关疾病

疾病名称

疾病类型